Statistical associating fluid theory coupled with restrictive primitive model extended to bivalent ions. SAFT2: 1. Single salt + water solutions

Article Abstract:

The statistical associating fluid theory coupled with the restricted primitive model is extended to multivalent ions by relaxing the range of the square-well width parameter, which leads to new dispersion term approximation and calls for a new set of salt and ion parameters. The new approximation, SAFT2, needs a single set of parameters derived from the salt activity coefficients and liquid densities of single-salt solutions and these parameters, in turn, are shown to predict the osmotic coefficients for single salt + water solutions.

Ions, Chemical properties

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Statistical associating fluid theory coupled with restrictive primitive model extended to bivalent ions. SAFT2: 2. Brine/seawater properties predicted

Article Abstract:

Statistical associating fluid theory coupled with restricted primitive model (SAFT2) has represented the properties of aqueous multiple-salt solutions, such as brine/seawater. The osmotic coefficients, densities, and vapor pressures are predicted without any additional parameters with the use of the salt hydrated diameters obtained from single-salt solutions and for a given ion composition of brine, the predicted vapor pressure, osmotic coefficient, activity of water and density have agreed well with the experimental data.

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Statistical associating fluid theory equation of state with Lennard-Jones reference applied to pure and binary n-alkane systems

Article Abstract:

A model defining the statistical associating fluid theory (SAFT) equation of state based on the Lennard-Jones (LJ) reference is developed and applied to pure n-alkanes and their mixtures. The model also integrated thermodynamic perturbation theory of the first order. The LJ-based SAFT model was able to define pure fluid and binary phase equilibria for small chain molecules of a normal alkane system.

Models, Fluid dynamics, Alkanes, Thermodynamic potentials

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